- InChI
- InChI=1S/C18H24O2/c1-5-6-12-17(13-14(2)3)20-18(19)15(4)16-10-8-7-9-11-16/h7-11,14-15,17H,5,13H2,1-4H3
- InChI Key
- HXVNSFXUARBLNQ-UHFFFAOYSA-N
- Formula
- C18H24O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)C(C)c1cccc
c1 - Molecular Weight1
- 272.38
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 174.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 4.161 | Crippen Calculated Property | |
| McVol | 239.560 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | [1793.00; 1793.00] |
|
|
| Inp | 1793.00 | NIST | |
| Inp | 1793.00 | NIST | |
| Tboil | 721.89 | K | Joback Calculated Property |
| Tc | 942.19 | K | Joback Calculated Property |
| Tfus | 452.30 | K | Joback Calculated Property |
| Vc | 0.903 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.00; 759.53] | J/mol×K | [721.89; 942.19] |
|
| Cp,gas | 667.00 | J/mol×K | 721.89 | Joback Calculated Property |
| Cp,gas | 685.32 | J/mol×K | 758.61 | Joback Calculated Property |
| Cp,gas | 702.43 | J/mol×K | 795.32 | Joback Calculated Property |
| Cp,gas | 718.36 | J/mol×K | 832.04 | Joback Calculated Property |
| Cp,gas | 733.16 | J/mol×K | 868.76 | Joback Calculated Property |
| Cp,gas | 746.87 | J/mol×K | 905.48 | Joback Calculated Property |
| Cp,gas | 759.53 | J/mol×K | 942.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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